4-Pentylcyclohexane-1-carbonitrile

Base Information

Chemical Name:4-Pentylcyclohexane-1-carbonitrile
CAS No.:80670-47-9
Molecular Formula:C12H21N
Molecular Weight:179.305
Hs Code.:
DSSTox Substance ID:DTXSID70559878
Nikkaji Number:J689.505K

Synonyms:4-pentylcyclohexane-1-carbonitrile;80670-47-9;SCHEMBL4423373;SCHEMBL4423377;DTXSID70559878;ZYJCSKAGKUQLQK-HAQNSBGRSA-N;trans-4-pentylcyclohexanecarbonitrile

Suppliers and Price of 4-Pentylcyclohexane-1-carbonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 4-Pentylcyclohexane-1-carbonitrile

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:179.167399674
Heavy Atom Count:13
Complexity:169

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC1CCC(CC1)C#N

Technology Process of 4-Pentylcyclohexane-1-carbonitrile

There total 4 articles about 4-Pentylcyclohexane-1-carbonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

: 80361-70-2
trans-4-pentylcyclohexanecarboxamide

: 80670-47-9
trans-4-n-pentylcyclohexyl nitrile

Guidance literature:: With thionyl chloride; for 1h; Heating;
DOI:10.1080/00268948408072502

Reference yield:

: 67589-90-6
trans-4-pentylcyclohexane-1-carboxylic acid chloride

: 80670-47-9
trans-4-n-pentylcyclohexyl nitrile

Guidance literature:: Multi-step reaction with 2 steps

1: ammonia gas / toluene / Ambient temperature

2: thionly chloride / toluene / 5 h / Heating

With thionyl chloride; ammonia; In toluene;

Reference yield:

: 26311-45-5
4-pentylbenzoic acid

: 80670-47-9
trans-4-n-pentylcyclohexyl nitrile

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) hydrogen

2: thionyl chloride / toluene / 3 h / Heating

3: ammonia gas / toluene / Ambient temperature

4: thionly chloride / toluene / 5 h / Heating

With thionyl chloride; ammonia; hydrogen; In toluene;